CHEMBL3792924
General
Type : Trifluoro,Sulfur Compound,Thiomorpholine
Chemical_Nomenclature : 4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3,5-difluorophenyl]methoxy]-6-(1,1-dioxo-1,4-thiazinan-4-yl)-1-methylpyrimidin-2-one
Canonical SMILES : CN1C(=CC(=NC1=O)OCC2=CC(=C(C(=C2)F)OC3=CC(=C(C=C3)Cl)C(F)(F)F)F)N4CCS(=O)(=O)CC4
InChI : InChI=1S\/C23H19ClF5N3O5S\/c1-31-20(32-4-6-38(34,35)7-5-32)11-19(30-22(31)33)36-12-13-8-17(25)21(18(26)9-13)37-14-2-3-16(24)15(10-14)23(27,28)29\/h2-3,8-11H,4-7,12H2,1H3
InChIKey : FLCSHCSBIFPQJJ-UHFFFAOYSA-N
Other name(s) : SCHEMBL17884258,BDBM50162136,VQ7
MW : 579.92
Formula : C23H19ClF5N3O5S
CAS_number :
PubChem : 121005813
UniChem : FLCSHCSBIFPQJJ-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : CHEMBL3792924 ligand of proteins in family: PAF-Acetylhydrolase
Stucture : 5I8P Crystal structure of human LP_PLA2 in complex with novel inhibitor
Protein : human-PLA2G7
References (1)
| Title : Structural and Thermodynamic Characterization of Protein-Ligand Interactions Formed between Lipoprotein-Associated Phospholipase A2 and Inhibitors - Liu_2016_J.Med.Chem_59_5115 |
| Author(s) : Liu Q , Chen X , Chen W , Yuan X , Su H , Shen J , Xu Y |
| Ref : Journal of Medicinal Chemistry , 59 :5115 , 2016 |
| Abstract : Liu_2016_J.Med.Chem_59_5115 |
| ESTHER : Liu_2016_J.Med.Chem_59_5115 |
| PubMedSearch : Liu_2016_J.Med.Chem_59_5115 |
| PubMedID: 27078579 |
| Gene_locus related to this paper: human-PLA2G7 |